N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide

C20H20FN3O2S — CID 122303499

IUPACN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1CCC(=O)Nc1c(C)nc(Oc2ccccc2F)nc1C
InChIInChI=1S/C20H20FN3O2S/c1-12-10-11-27-17(12)8-9-18(25)24-19-13(2)22-20(23-14(19)3)26-16-7-5-4-6-15(16)21/h4-7,10-11H,8-9H2,1-3H3,(H,24,25)
InChIKeyGVDNQFCICTVTCN-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.97
Rot. Bonds6

About N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide (PubChem CID 122303499) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
PubChem CID122303499
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide
SMILESCc1ccsc1CCC(=O)Nc1c(C)nc(Oc2ccccc2F)nc1C
InChIInChI=1S/C20H20FN3O2S/c1-12-10-11-27-17(12)8-9-18(25)24-19-13(2)22-20(23-14(19)3)26-16-7-5-4-6-15(16)21/h4-7,10-11H,8-9H2,1-3H3,(H,24,25)
InChIKeyGVDNQFCICTVTCN-UHFFFAOYSA-N
XLogP4.97
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-phenylacetamide
CID 122303244
2-(2,4-difluorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]acetamide
CID 122303430
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-pyrazol-1-ylacetamide
CID 122303464
benzyl N-[2-[[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]amino]-2-oxoethyl]carbamate
CID 122303450
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-methylbenzamide
CID 122303223
4-chloro-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 91969101
1-(2,4-dimethylphenyl)-3-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]urea
CID 122303288
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 91969103
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,5-dinitrobenzamide
CID 122303565
(E)-3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]prop-2-enamide
CID 122303350
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 90616823
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122303389

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide?
The IUPAC name of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide (CID 122303499) is N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide is Cc1ccsc1CCC(=O)Nc1c(C)nc(Oc2ccccc2F)nc1C.
What is the InChIKey of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide?
The InChIKey is GVDNQFCICTVTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-12-10-11-27-17(12)8-9-18(25)24-19-13(2)22-20(23-14(19)3)26-16-7-5-4-6-15(16)21/h4-7,10-11H,8-9H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide?
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-(3-methylthiophen-2-yl)propanamide is sourced from PubChem (CID 122303499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).